REMARK Name = BDB042143 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.301 -1.586 0.361 0.00 0.00 -0.298 NA ATOM 2 C LIG 1 0.384 -0.584 -0.709 0.00 0.00 +0.090 C ATOM 3 C LIG 1 -0.939 -0.749 -1.448 0.00 0.00 +0.023 C ATOM 4 C LIG 1 -1.381 -2.188 -1.160 0.00 0.00 +0.023 C ATOM 5 C LIG 1 -2.735 -2.043 -0.469 0.00 0.00 +0.090 C ATOM 6 N LIG 1 -3.246 -0.769 -1.004 0.00 0.00 -0.291 NA ATOM 7 C LIG 1 -2.074 0.117 -0.906 0.00 0.00 +0.090 C ATOM 8 C LIG 1 -0.285 -2.771 -0.278 0.00 0.00 +0.090 C ENDROOT BRANCH 1 9 ATOM 9 C LIG 1 1.589 -1.880 0.992 0.00 0.00 +0.120 C BRANCH 9 15 ATOM 10 N LIG 1 5.160 0.863 0.485 0.00 0.00 -0.282 N ATOM 11 C LIG 1 4.952 1.558 1.667 0.00 0.00 +0.248 C ATOM 12 O LIG 1 5.640 2.428 2.162 0.00 0.00 -0.270 OA ATOM 13 C LIG 1 3.717 1.030 2.258 0.00 0.00 +0.042 A ATOM 14 C LIG 1 3.269 -0.029 1.466 0.00 0.00 -0.014 A ATOM 15 C LIG 1 2.111 -0.720 1.806 0.00 0.00 -0.028 A ATOM 16 C LIG 1 1.424 -0.294 2.961 0.00 0.00 +0.005 A ATOM 17 C LIG 1 1.892 0.776 3.747 0.00 0.00 +0.001 A ATOM 18 C LIG 1 3.059 1.451 3.397 0.00 0.00 +0.013 A ATOM 19 C LIG 1 4.215 -0.233 0.329 0.00 0.00 +0.145 C BRANCH 10 26 ATOM 20 O LIG 1 10.380 1.625 -1.108 0.00 0.00 -0.275 OA ATOM 21 C LIG 1 9.196 1.485 -0.814 0.00 0.00 +0.219 C ATOM 22 N LIG 1 8.801 0.528 0.087 0.00 0.00 -0.255 N ATOM 23 H LIG 1 9.541 -0.019 0.504 0.00 0.00 +0.158 HD ATOM 24 C LIG 1 7.519 0.127 0.384 0.00 0.00 +0.240 C ATOM 25 O LIG 1 7.325 -0.878 1.067 0.00 0.00 -0.273 OA ATOM 26 C LIG 1 6.391 0.919 -0.296 0.00 0.00 +0.163 C ATOM 27 C LIG 1 6.852 2.340 -0.621 0.00 0.00 +0.041 C ATOM 28 C LIG 1 8.100 2.278 -1.487 0.00 0.00 +0.098 C ENDBRANCH 10 26 ENDBRANCH 9 15 ENDBRANCH 1 9 BRANCH 6 29 ATOM 29 C LIG 1 -4.405 -0.257 -0.224 0.00 0.00 +0.117 C BRANCH 29 30 ATOM 30 C LIG 1 -4.873 1.129 -0.686 0.00 0.00 -0.026 A ATOM 31 C LIG 1 -5.172 2.120 0.266 0.00 0.00 +0.005 A ATOM 32 C LIG 1 -5.616 3.383 -0.134 0.00 0.00 +0.000 A ATOM 33 C LIG 1 -5.771 3.672 -1.488 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -5.487 2.700 -2.444 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -5.044 1.438 -2.046 0.00 0.00 +0.005 A ENDBRANCH 29 30 BRANCH 29 36 ATOM 36 C LIG 1 -5.590 -1.230 -0.200 0.00 0.00 -0.026 A ATOM 37 C LIG 1 -6.257 -1.492 1.009 0.00 0.00 +0.005 A ATOM 38 C LIG 1 -7.346 -2.365 1.048 0.00 0.00 +0.000 A ATOM 39 C LIG 1 -7.788 -2.985 -0.119 0.00 0.00 +0.000 A ATOM 40 C LIG 1 -7.144 -2.731 -1.327 0.00 0.00 +0.000 A ATOM 41 C LIG 1 -6.055 -1.858 -1.369 0.00 0.00 +0.005 A ENDBRANCH 29 36 ENDBRANCH 6 29 TORSDOF 6